@<TRIPOS>MOLECULE
BindingDB_14152
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.8297    1.8296   25.6944  C     
2    C         8.5844    0.6885   24.8726  C     
3    C         8.6571    0.8783   23.4467  C     
4    C         8.9484    2.1532   22.9016  C     
5    C         9.1223    3.0856   25.1293  C     
6    C         9.1611    3.2267   23.7580  C     
7    C         9.5612    5.2526   24.5657  C     
8    N         9.4199    4.4992   23.4520  N     
9    C         8.3078   -0.5846   25.4863  C     
10   N         8.3922   -1.7848   24.8786  N     
11   N         7.9051   -0.7542   26.7607  N     
12   C         9.8333    6.6658   24.5802  C     
13   C        10.4448    9.4511   24.7148  C     
14   C        10.5863    8.7815   23.4820  C     
15   C        10.2842    7.3876   23.4320  C     
16   C         9.6546    7.4031   25.7761  C     
17   C         9.9757    8.7632   25.8443  C     
18   C        11.0004    9.5306   22.3291  C     
19   C        12.3365    9.7524   20.2733  C     
20   C        11.7542   10.9976   19.9989  C     
21   C        10.8150   11.5385   20.9081  C     
22   C        10.4460   10.8084   22.0608  C     
23   C        11.9769    9.0341   21.4234  C     
24   O        10.4117    6.7679   22.2319  O     
25   C         9.3762    4.3637   25.6452  C     
26   Cl        8.4668   -0.3328   22.2631  Cl    
27   H         8.8066    1.7667   26.7184  H     
28   H         9.0074    2.2877   21.8848  H     
29   H         9.4610    4.8320   22.5416  H     
30   H         8.2846   -2.6015   25.4206  H     
31   H         7.7010   -1.6585   27.0726  H     
32   H         7.7195   -0.0026   27.3484  H     
33   H        10.6832   10.4391   24.8089  H     
34   H         9.3137    6.9441   26.6304  H     
35   H         9.8636    9.2545   26.7282  H     
36   H        13.0493    9.3717   19.6252  H     
37   H        12.0056   11.5203   19.1549  H     
38   H        10.3936   12.4571   20.7158  H     
39   H         9.7670   11.2328   22.6929  H     
40   H        12.4399    8.1378   21.6034  H     
41   H        11.3226    6.4006   22.2460  H     
42   H         9.3808    4.5980   26.6424  H     
43   H         8.5915   -1.8753   23.9374  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3   26 1
     7    4    6 1
     8    5    6 2
     9    5   25 1
    10    6    8 1
    11    7    8 1
    12    7   12 1
    13    7   25 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   14   15 1
    21   14   18 1
    22   15   24 1
    23   16   17 2
    24   18   22 1
    25   18   23 2
    26   19   20 2
    27   19   23 1
    28   20   21 1
    29   21   22 2
    30    1   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   19   36 1
    40   20   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   25   42 1
    46   10   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1794
  Crash		| -1.0984
  Polar		| 4.7514
  FragIndex	| 1
  FragRMSD	| 0.568